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Ab Initio NMR Spectra for Molecular Systems with a Thousand and More Atoms: A Linear‐Scaling Method |
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| Authors: | Christian Ochsenfeld,Jö rg Kussmann,Felix Koziol |
| Abstract: | |
| Keywords: | Ab‐initio‐Rechnungen Computerchemie Molekulare Erkennung NMR‐Spektroskopie |